N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide

C18H18ClF3N2O4S2 — CID 17393405

IUPACN-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O4S2/c19-16-7-6-13(18(20,21)22)12-17(16)30(27,28)24-10-8-14(9-11-24)23-29(25,26)15-4-2-1-3-5-15/h1-7,12,14,23H,8-11H2
InChIKeyGROUDHFXNPRVTP-UHFFFAOYSA-N
MW482.93 g/mol
LogP3.49
Rot. Bonds5

About N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide

N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide (PubChem CID 17393405) has the molecular formula C18H18ClF3N2O4S2 and a molecular weight of 482.93 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
PubChem CID17393405
Molecular FormulaC18H18ClF3N2O4S2
Molecular Weight482.93 g/mol
Exact Mass482.03
IUPAC NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O4S2/c19-16-7-6-13(18(20,21)22)12-17(16)30(27,28)24-10-8-14(9-11-24)23-29(25,26)15-4-2-1-3-5-15/h1-7,12,14,23H,8-11H2
InChIKeyGROUDHFXNPRVTP-UHFFFAOYSA-N
XLogP3.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 3936034
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine
CID 801298
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2810733
N-[3-[4-[3-[(4-chlorophenyl)sulfonylamino]propyl]piperazin-1-yl]propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 137641782
N-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 17535427
4-chloro-N-(1-methylsulfonylpiperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 40000282
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine
CID 2443157
2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2562534
4-chloro-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 4160741
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 4682582
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 24230568
1-(2-Chloro-4-fluoro-5-methylbenzenesulfonyl)piperidin-4-amine hydrochloride
CID 119959051

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide (CID 17393405) is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide?
The InChIKey is GROUDHFXNPRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S2/c19-16-7-6-13(18(20,21)22)12-17(16)30(27,28)24-10-8-14(9-11-24)23-29(25,26)15-4-2-1-3-5-15/h1-7,12,14,23H,8-11H2.
What are the key properties of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide?
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide has a molecular weight of 482.93 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 17393405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).